4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine

C16H19FN2O — CID 63593460

IUPAC4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCc1ccccc1Nc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C16H19FN2O/c1-10(2)20-16-9-15(13(18)8-12(16)17)19-14-7-5-4-6-11(14)3/h4-10,19H,18H2,1-3H3
InChIKeyHZHPVVMMDPUAOC-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.25
Rot. Bonds4

About 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine

4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63593460) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63593460
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCc1ccccc1Nc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C16H19FN2O/c1-10(2)20-16-9-15(13(18)8-12(16)17)19-14-7-5-4-6-11(14)3/h4-10,19H,18H2,1-3H3
InChIKeyHZHPVVMMDPUAOC-UHFFFAOYSA-N
XLogP4.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593995
1-N-(3-bromophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592219
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633
4-(difluoromethoxy)-5-fluoro-2-N-(2-iodophenyl)benzene-1,2-diamine
CID 63592922
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630
4-fluoro-1-N-[(3-methylphenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592243

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine (CID 63593460) is 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine is Cc1ccccc1Nc1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is HZHPVVMMDPUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-10(2)20-16-9-15(13(18)8-12(16)17)19-14-7-5-4-6-11(14)3/h4-10,19H,18H2,1-3H3.
What are the key properties of 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine?
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 274.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63593460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).